- InChI
- InChI=1S/C4H5Cl3/c1-3(2-5)4(6)7/h4H,1-2H2
- InChI Key
- BKSGSFFPKXGKBD-UHFFFAOYSA-N
- Formula
- C4H5Cl3
- SMILES
- C=C(CCl)C(Cl)Cl
- Molecular Weight1
- 159.44
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.585 | Crippen Calculated Property | |
| McVol | 99.640 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Inp | [918.00; 918.00] |
|
|
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Tboil | 399.33 | K | Joback Calculated Property |
| Tc | 602.68 | K | Joback Calculated Property |
| Tfus | 193.88 | K | Joback Calculated Property |
| Vc | 0.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.34; 183.64] | J/mol×K | [399.33; 602.68] |
|
| Cp,gas | 149.34 | J/mol×K | 399.33 | Joback Calculated Property |
| Cp,gas | 156.00 | J/mol×K | 433.22 | Joback Calculated Property |
| Cp,gas | 162.27 | J/mol×K | 467.11 | Joback Calculated Property |
| Cp,gas | 168.14 | J/mol×K | 501.00 | Joback Calculated Property |
| Cp,gas | 173.65 | J/mol×K | 534.90 | Joback Calculated Property |
| Cp,gas | 178.81 | J/mol×K | 568.79 | Joback Calculated Property |
| Cp,gas | 183.64 | J/mol×K | 602.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3,3-dichloro-2-chloromethyl.
Sources
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